(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide

C22H19N3O2S2 — CID 121025158

IUPAC(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1
InChIInChI=1S/C22H19N3O2S2/c1-15-5-7-17(8-6-15)11-13-29(26,27)25-19-10-9-18(14-16(19)2)21-24-20-4-3-12-23-22(20)28-21/h3-14,25H,1-2H3/b13-11+
InChIKeyZFPQWJFRERHKPM-ACCUITESSA-N
MW421.55 g/mol
LogP5.39
Rot. Bonds5

About (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide (PubChem CID 121025158) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide
PubChem CID121025158
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC Name(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1
InChIInChI=1S/C22H19N3O2S2/c1-15-5-7-17(8-6-15)11-13-29(26,27)25-19-10-9-18(14-16(19)2)21-24-20-4-3-12-23-22(20)28-21/h3-14,25H,1-2H3/b13-11+
InChIKeyZFPQWJFRERHKPM-ACCUITESSA-N
XLogP5.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
CID 121025177
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3,5-dinitrobenzenesulfonamide
CID 40998580
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
2-fluoro-4-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998555
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 7087656
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide (CID 121025158) is (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide?
The InChIKey is ZFPQWJFRERHKPM-ACCUITESSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-15-5-7-17(8-6-15)11-13-29(26,27)25-19-10-9-18(14-16(19)2)21-24-20-4-3-12-23-22(20)28-21/h3-14,25H,1-2H3/b13-11+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide has a molecular weight of 421.55 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide is sourced from PubChem (CID 121025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).